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新型コロナウイルスの構造情報

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コロナウイルス
コロナウイルス, 2020. David S. Goodsell@RCSB PDB による原画を修正

最近、新型コロナウイルス感染症(Novel Coronavirus disease 2019: COVID-19)の拡大が世界中で深刻な問題となっています。早急にこの新型ウイルス(Severe Acute Respiratory Syndrome Coronavirus 2: SARS-CoV-2)を理解し有効な薬を開発するため,関連するタンパク質の構造研究は既に始まっています。そして,解明された構造はPDBに登録されていっています。PDBjでは利用者の利便を図るため,新型コロナウイルス特集ページを作成しました。新たなエントリーが毎週水曜日の週次更新で公開されると、同時にこのページにも追加されます。

またこのウイルスのタンパク質に関する解説記事を以下の「今月の分子」ページに掲載しています。

「全エントリー」のタブでは,同じ著者によるグループ登録のエントリーも全て区別し,すべてのPDB IDを省略せず表示しています。 「代表構造」タブには最も分解能の高い代表構造のみを表示しており,アミノ酸配列が100%同じPDBエントリーはリガンドが異なるものも含め除外してあります。 「最新のエントリー」のタブは,今週公開された最も新しいエントリーです。


作成日: 2020-09-03 (最終更新日: more than 1 year ago)2022-09-02
8Z9L
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BU of 8z9l by Molmil
Crystal structure of SARS-CoV-2 RBD bound to Rhinolophus affinis ACE2
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme, Spike protein S1, ...
著者Lan, J, Wang, C.H.
登録日2024-04-23
公開日2025-04-30
最終更新日2025-05-14
実験手法X-RAY DIFFRACTION (3.598 Å)
主引用文献Molecular mechanisms of RaTG13 and SARS-CoV-2 RBD bound to Rhinolophus affinis bat ACE2.
Protein Sci., 34, 2025
8ZBF
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BU of 8zbf by Molmil
Crystal structure of the A58-T10 DNA aptamer in complex with SARS-CoV-2 N-NTD
分子名称: DNA (40-MER), Nucleoprotein, SODIUM ION
著者Chen, X, Huang, L.
登録日2024-04-26
公開日2025-04-30
最終更新日2025-05-07
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Molecular characterization and broad-spectrum mechanism of coronavirus N protein aptamer
To Be Published
9DTZ
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BU of 9dtz by Molmil
SARS-CoV-2 Mpro in complex with compound 5
分子名称: 3C-like proteinase nsp5, N-[(2S)-3-cyclopropyl-1-({(2R)-1-imino-3-[(3R)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-1-oxopropan-2-yl]-4-methoxy-1H-indole-2-carboxamide, SODIUM ION
著者Bigelow, L, Tang, H, Boguslaw, N, Duda, D.M.
登録日2024-10-02
公開日2025-04-30
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Inhibition of Dimeric SARS-CoV-2 Mpro by Aldehyde and Nitrilebased Inhibitors Displays Positive Cooperativity and a Mixture of Covalent and Non-covalent Binding.
To Be Published
9DU2
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BU of 9du2 by Molmil
SARS-CoV-2 Mpro in complex with compound 7
分子名称: 3C-like proteinase nsp5, N-[(2S)-3-cyclopropyl-1-{[(1Z,2S)-1-imino-4-(methanesulfonyl)butan-2-yl]amino}-1-oxopropan-2-yl]-4-methoxy-1H-indole-2-carboxamide
著者Bigelow, L, Tang, H, Boguslaw, N, Duda, D.M.
登録日2024-10-02
公開日2025-04-30
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Inhibition of Dimeric SARS-CoV-2 Mpro by Aldehyde and Nitrilebased Inhibitors Displays Positive Cooperativity and a Mixture of Covalent and Non-covalent Binding.
To Be Published
9DU3
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BU of 9du3 by Molmil
SARS-CoV-2 Mpro in complex with compound 1
分子名称: 3C-like proteinase nsp5, N-[(2S)-3-cyclopropyl-1-({(2R)-1-hydroxy-3-[(3R)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-1-oxopropan-2-yl]-4-methoxy-1H-indole-2-carboxamide
著者Bigelow, L, Tang, H, Boguslaw, N, Duda, D.M.
登録日2024-10-02
公開日2025-04-30
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献Inhibition of Dimeric SARS-CoV-2 Mpro by Aldehyde and Nitrilebased Inhibitors Displays Positive Cooperativity and a Mixture of Covalent and Non-covalent Binding.
To Be Published
9DU4
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BU of 9du4 by Molmil
SARS-CoV-2 Mpro in complex with compound 3
分子名称: 3C-like proteinase nsp5, N-[(2S)-3-cyclopropyl-1-{[(2R)-1-hydroxy-4-(methanesulfonyl)butan-2-yl]amino}-1-oxopropan-2-yl]-4-methoxy-1H-indole-2-carboxamide
著者Bigelow, L, Tang, H, Boguslaw, N, Duda, D.M.
登録日2024-10-02
公開日2025-04-30
実験手法X-RAY DIFFRACTION (2.42 Å)
主引用文献Inhibition of Dimeric SARS-CoV-2 Mpro by Aldehyde and Nitrilebased Inhibitors Displays Positive Cooperativity and a Mixture of Covalent and Non-covalent Binding.
To Be Published
8WZ0
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BU of 8wz0 by Molmil
SARS-CoV-2 3CLpro bound to covalent inhibitor
分子名称: (2~{R})-~{N}-[4,4-bis(fluoranyl)cyclohexyl]-2-[(2-chloranyl-2-fluoranyl-ethanoyl)-[4-(trifluoromethyloxy)phenyl]amino]-2-pyrimidin-5-yl-propanamide, 3C-like proteinase nsp5
著者Peng, J, Sun, D, Ding, X.
登録日2023-11-01
公開日2025-05-07
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献SARS-CoV-2 3CLpro bound to covalent inhibitor
To Be Published
9BF8
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BU of 9bf8 by Molmil
SARS-CoV-2 Papain-like Protease (PLpro) Untagged Crystal Structure
分子名称: 1,2-ETHANEDIOL, ORF1a polyprotein, PHOSPHATE ION, ...
著者Al-Homoudi, A.I, Engel, J, Brunzelle, J.S, Gavande, N, Kovari, L.C.
登録日2024-04-17
公開日2025-05-07
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Human Structural Homologues of SARS-CoV-2 PL pro as Anti-Targets: A Strategic Panel Analysis.
MicroPubl Biol, 2025, 2025
9FM4
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BU of 9fm4 by Molmil
Dynamic structure of the apical stem loop of the stem loop 2 motif (s2m) from SCoV-2 Delta variant.
分子名称: RNA (25-MER)
著者Wirtz Martin, M.A, Matzel, T, Makowski, J, Kensinger, A, Herr, A, Wacker, A, Richter, C, Jonker, H.R.A, Evanseck, J, Schwalbe, H.
登録日2024-06-05
公開日2025-05-07
最終更新日2025-06-04
実験手法SOLUTION NMR, SOLUTION SCATTERING
主引用文献Characterization of structure and dynamics of the apical stem loop of s2m from SCoV-2 Delta by NMR spectroscopy, validated by MD and SAXS
To Be Published
8X1X
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BU of 8x1x by Molmil
SARS-CoV-2 Papain like protease (PLpro) in complex with inhibitor Lithocholic acid
分子名称: (3beta,5beta,14beta,17alpha)-3-hydroxycholan-24-oic acid, GLYCEROL, Papain-like protease nsp3, ...
著者Choudhary, S, Verma, S, Kumar, P, Tomar, S.
登録日2023-11-09
公開日2025-05-14
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献SARS-CoV-2 Papain like protease (PLpro) in complex with inhibitor Lithocholic acid
To Be Published
9BLF
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BU of 9blf by Molmil
SARS-CoV-2 core polymerase complex inhibited by araCTP
分子名称: 4-amino-1-{5-O-[(S)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-D-arabinofuranosyl}pyrimidin-2(1H)-one, MAGNESIUM ION, Non-structural protein 7, ...
著者Anderson, T.K, Kirchdeorfer, R.N.
登録日2024-04-30
公開日2025-05-14
実験手法ELECTRON MICROSCOPY (3.31 Å)
主引用文献Structure of the SARS-CoV-2 core-RTC bound to RNA, araCMP, and araCTP
To Be Published
9BQF
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BU of 9bqf by Molmil
Structure of the SARS-CoV-2 main protease in complex with inhibitor 78
分子名称: 3C-like proteinase nsp5, N-[(BENZYLOXY)CARBONYL]-O-(TERT-BUTYL)-L-THREONYL-3-CYCLOHEXYL-N-[(1S)-2-HYDROXY-1-{[(3S)-2-OXOPYRROLIDIN-3-YL]METHYL}ETHYL]-L-ALANINAMIDE
著者Blankenship, L.R, Liu, W.R.
登録日2024-05-09
公開日2025-05-14
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structure of the SARS-CoV-2 main protease in complex with inhibitor 78
To Be Published
9BQG
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BU of 9bqg by Molmil
Structure of the SARS-CoV-2 main protease in complex with inhibitor k68
分子名称: 3C-like proteinase nsp5, benzyl (2S,4S)-4-tert-butoxy-2-({(2R)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}carbamoyl)pyrrolidine-1-carboxylate
著者Blankenship, L.R, Liu, W.R.
登録日2024-05-09
公開日2025-05-14
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Structure of the SARS-CoV-2 main protease in complex with inhibitor k68
To Be Published
9BQL
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BU of 9bql by Molmil
Structure of the SARS-CoV-2 main protease in complex with inhibitor VB-A-32
分子名称: 3C-like proteinase nsp5, O-tert-butyl-N-[(cyclopropylmethoxy)carbonyl]-L-threonyl-3-cyclohexyl-N-{(2R)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-alaninamide
著者Blankenship, L.R, Liu, W.R.
登録日2024-05-10
公開日2025-05-14
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure of the SARS-CoV-2 main protease
To Be Published
9BQM
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BU of 9bqm by Molmil
Structure of the SARS-CoV-2 main protease in complex with inhibitor VB-A-26
分子名称: 3C-like proteinase nsp5, O-tert-butyl-N-{[(propan-2-yl)oxy]carbonyl}-L-threonyl-3-cyclohexyl-N-{(2R)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-alaninamide
著者Blankenship, L.R, Liu, W.R.
登録日2024-05-10
公開日2025-05-14
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structure of the SARS-CoV-2 main protease
To Be Published
9BQN
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BU of 9bqn by Molmil
Structure of the SARS-CoV-2 main protease in complex with inhibitor VB-A-28
分子名称: 3C-like proteinase nsp5, O-tert-butyl-N-[(2,2,2-trifluoroethoxy)carbonyl]-L-threonyl-3-cyclohexyl-N-{(2R)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-alaninamide
著者Blankenship, L.R, Liu, W.R.
登録日2024-05-10
公開日2025-05-14
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献To be determined
To Be Published
9BQO
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BU of 9bqo by Molmil
Structure of the SARS-CoV-2 main protease in complex with inhibitor k88
分子名称: 3C-like proteinase nsp5, N-[(benzyloxy)carbonyl]-O-tert-butyl-L-threonyl-3-cyclohexyl-N-{(2R)-1-hydroxy-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl}-L-alaninamide
著者Blankenship, L.R, Liu, W.R.
登録日2024-05-10
公開日2025-05-14
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structure of the SARS-CoV-2 main protease
To Be Published
9BQP
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BU of 9bqp by Molmil
Structure of the SARS-CoV-2 main protease in complex with inhibitor R79
分子名称: 3C-like proteinase nsp5, propan-2-yl {(2R)-1-[(1R,2S,5R)-2-({(2R)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}carbamoyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-3,3-dimethyl-1-oxobutan-2-yl}carbamate
著者Blankenship, L.R, Liu, W.R.
登録日2024-05-10
公開日2025-05-14
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure of the SARS-CoV-2 main protease
To Be Published
9BQQ
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BU of 9bqq by Molmil
Structure of the SARS-CoV-2 main protease in complex with inhibitor R81
分子名称: 3C-like proteinase nsp5, N-[(benzyloxy)carbonyl]-O-tert-butyl-L-threonyl-3-cyclohexyl-N-{(2R)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-L-alaninamide
著者Blankenship, L.R, Liu, W.R.
登録日2024-05-10
公開日2025-05-14
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure of the SARS-CoV-2 main protease
To Be Published
9BQT
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BU of 9bqt by Molmil
Structure of the SARS-CoV-2 main protease in complex with inhibitor R80
分子名称: 3C-like proteinase nsp5, N-[(benzyloxy)carbonyl]-O-tert-butyl-L-threonyl-3-cyclohexyl-N-{(2R)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-alaninamide
著者Blankenship, L.R, Liu, W.R.
登録日2024-05-10
公開日2025-05-14
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structure of the SARS-CoV-2 main protease
To Be Published
9BQY
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BU of 9bqy by Molmil
Structure of the SARS-CoV-2 main protease in complex with inhibitor R70
分子名称: (1R,2S,5R)-3-[N-(3,3-dimethylbutanoyl)-3-methyl-L-valyl]-N-{(1E,2R)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5
著者Blankenship, L.R, Liu, W.R.
登録日2024-05-10
公開日2025-05-14
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structure of the SARS-CoV-2 main protease
To Be Published
9BQZ
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BU of 9bqz by Molmil
Structure of the SARS-CoV-2 main protease in complex with inhibitor x11
分子名称: (1H-indol-4-yl)methanol, 3C-like proteinase nsp5
著者Blankenship, L.R, Liu, W.R.
登録日2024-05-10
公開日2025-05-14
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structure of the SARS-CoV-2 main protease
To Be Published
9BR0
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BU of 9br0 by Molmil
Structure of the SARS-CoV-2 main protease in complex with inhibitor YR-B-84
分子名称: 3C-like proteinase nsp5, O-tert-butyl-N-(trifluoroacetyl)-L-threonyl-3-cyclohexyl-N-{(2R)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-alaninamide
著者Blankenship, L.R, Liu, W.R.
登録日2024-05-10
公開日2025-05-14
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structure of the SARS-CoV-2 main protease
To Be Published
9BR1
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BU of 9br1 by Molmil
Structure of the SARS-CoV-2 main protease in complex with inhibitor VB-A-70
分子名称: 3C-like proteinase nsp5, N-[(benzyloxy)carbonyl]-O-tert-butyl-L-threonyl-N-{(1S,2R)-1-(1,3-benzoxazol-2-yl)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-3-cyclohexyl-L-alaninamide
著者Blankenship, L.R, Liu, W.R.
登録日2024-05-10
公開日2025-05-14
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure of the SARS-CoV-2 main protease
To Be Published
9BS7
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BU of 9bs7 by Molmil
Structure of the SARS-CoV-2 main protease in complex with inhibitor Vinylpyridine
分子名称: 3-ethenylpyridine, 3C-like proteinase nsp5
著者Blankenship, L.R, Liu, W.R.
登録日2024-05-13
公開日2025-05-14
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structure of the SARS-CoV-2 main protease
To Be Published

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件を2025-07-09に公開中

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